SCHEMBL314797

SCHEMBL314797

Cc1nnc(C2CN(C(=O)O)CCO2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.43
BRD4 O60885 8/20 0.40
PDE2A O00408 3/20 0.40
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8285084 0.86 MEN1 (0.43) AVPR1ABRD4KMT2AALDH1A1LMNA
SCHEMBL316547 0.85 AVPR1A (0.43) AVPR1ABRD4PDE2AALDH1A1
SCHEMBL3374491 0.75 USP30 (0.44) PDE2AAKR1C3LMNA
SCHEMBL3375071 0.75 USP30 (0.44) PDE2AAKR1C3LMNA
SCHEMBL315251 0.70 TRPA1 (0.46) BRD4KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL18420367 0.70 USP30 (0.43) PDE2AALDH1A1
SCHEMBL315257 0.68 BRD4 (0.42) AVPR1ABRD4KMT2AAKR1C3
SCHEMBL10189899 0.68 MEN1 (0.56) AVPR1AKMT2AALDH1A1LMNAHPGD
SCHEMBL15109703 0.68 KMT2A (0.43) PDE2AKMT2AAKR1C3ALDH1A1
SCHEMBL17224167 0.67 CNR2 (0.42)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 AVPR1A 533/4885BRD4 213/4885PDE2A 2438/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885BRD4 1989/4885PDE2A 200/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.